SCHEMBL8544319

SCHEMBL8544319

COC(=O)c1c(NCCC(=O)c2cccc(F)c2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.44
MDM2 Q00987 5/20 0.39
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK9 P45984 1/20 0.34
DRD2 P14416 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8543207 0.92 MAPK8 (0.45) MAPK8MDM2MAPK9
SCHEMBL8539840 0.91 MAPK8 (0.41) MAPK8MDM2ALDH1A1MAPT
SCHEMBL8545340 0.91 MDM2 (0.45) MAPK8MDM2ALDH1A1MAPTMAPK9
SCHEMBL8538384 0.90 MAPK8 (0.42) MAPK8MDM2ALDH1A1MAPTMAPK9
SCHEMBL8544317 0.82 MAPK8 (0.44) MAPK8MDM2MAPK9
SCHEMBL8545614 0.82 MDM2 (0.38) MDM2ALDH1A1MAPT
SCHEMBL8543479 0.82 MDM2 (0.43) MAPK8MDM2MAPK9
SCHEMBL8541617 0.82 MDM2 (0.49) MAPK8MDM2ALDH1A1MAPK9
SCHEMBL8546995 0.81 MAPK8 (0.43) MAPK8MDM2MAPK9
SCHEMBL8544978 0.80 MDM2 (0.42) MDM2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed